Structural Elucidation, Optical and Magnetic Properties of Tetraphenylborate Salt of 2,5-[1-Methyl-4-[2-(4-hydroxyphenyl)ethenyl)]pyridinium]-butane

• Autorzy: Stoyanov S. , Koleva B. B. , Kolev T. , Petkov I. , Spiteller M.
• Języki publikacji: EN

Abstrakty

EN

Structure, magnetic and optical properties of tetraphenylborate salt of 2,5-[1-methyl-4-[2-(4-hydroxyphenyl)ethenyl)]pyridinium]-hexane were performed for condensed phase by means of solution and solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids in nematic host, UV-Vis and fluorescence methods, HPLC MS-MS tandem and ESI mass spectrometry, 1H-, 13C- and 1H-1H COSY NMR, TGV and DSC methods. Electronic structure and vibrational analysis were carried out by quantum chemical calculations at two levels of theory second-order Moller-Plesset perturbation theory (MP2) and density functional theory (DFT) using 6-31G* basis set. B3LYP method, which combines Becke's three-parameter non-local exchange functional with the correlation function of Lee, Yang and Parr, was applied.

Słowa kluczowe

EN

merocyanine dye; aggregation; solid-state IR-LD; UV-Vis; ESI-MS; HPLC-MS/MS; TGV; DSC; fluorescence spectra; 1H-; 13C; 1H-1H COSY NMR

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2008
• Tom: Vol. 82, nr 11
• Strony: 2167--2178
• Opis fizyczny: Bibliogr. 33 poz., rys.

Twórcy

autor

Stoyanov S.

autor

Koleva B. B.

autor

Kolev T.

autor

Petkov I.

autor

Spiteller M.

• Sofia University "St. Kl. Ohridsky", Faculty of Chemistry, Department of Organic Chemistry, 1, J. Bouchier, Blvd., 1164 Sofia, Bulgaria phone: [phone],

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